Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 326-350 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Username
✕
326
-585.987
mse-gucc
327
-585.637
mse-gucc
328
-589.778
mse-gucc
329
-590.265
mse-gucc
330
-583.926
mse-gucc
331
-584.300
mse-gucc
332
-586.606
mse-gucc
333
-586.599
mse-gucc
334
-586.621
mse-gucc
335
-587.112
mse-gucc
336
-585.413
mse-gucc
337
-585.337
mse-gucc
338
-596.031
mse-gucc
339
-596.111
mse-gucc
340
-595.494
mse-gucc
341
-593.057
mse-gucc
342
-591.502
mse-gucc
343
-591.422
mse-gucc
344
-595.352
mse-gucc
345
-592.454
mse-gucc
346
-593.764
mse-gucc
347
-595.722
mse-gucc
348
-591.523
mse-gucc
349
-596.450
mse-gucc
350
-596.376
mse-gucc
«
1
2
3
4
5
...
10
11
12
13
14
15
16
17
»